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Compound Detail

CHEMBL5907174

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FC(F)(F)CCc1ccnc2c1CC[C@@H]1CNCCCN21

Basic Information

ChEMBL ID CHEMBL5907174
Phase Preclinical
Structure Type MOL
InChI Key PCYNOQDTYVAZBG-GFCCVEGCSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

299.3
MW (Da)
2.69
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20F3N3
MW 299.34
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.20

Activity Summary

Ki 3 meas. best 7.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2C
CHEMBL225
Ki 7.34 7.34 46.0 1
5-hydroxytryptamine receptor 2B
CHEMBL1833
Ki 6.14 6.14 721.0 1
5-hydroxytryptamine receptor 2A
CHEMBL224
Ki 5.94 5.94 1140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine